Sugi Predict

Sugi Predict / Compounds / SCHEMBL3115663

SCHEMBL3115663

SCHEMBL3115663

Cc1cccc(-c2noc(C(C)NC(=O)c3ccc(-c4ccncc4)cc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 6/20 0.60
▸ ROCK1 Q13464 7/20 0.54
▸ ROCK2 O75116 6/20 0.54
▸ PRKG1 Q13976 4/20 0.54
▸ PRKACA P17612 3/20 0.54
▸ RPS6KB1 P23443 3/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ GSK3A P49840 3/20 0.54
▸ GSK3B P49841 3/20 0.54
▸ PRKX P51817 3/20 0.54
▸ PRKCD Q05655 3/20 0.54
▸ PRKG2 Q13237 3/20 0.54
▸ PKN2 Q16513 3/20 0.54
▸ CLK4 Q9HAZ1 3/20 0.54
▸ SGK2 Q9HBY8 3/20 0.54
▸ RPS6KA5 O75582 2/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ CDC42BPA Q5VT25 2/20 0.54
▸ MAP4K4 O95819 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3109357 0.88 SMN1; SMN2 (0.65) KCNT1ROCK1ROCK2PRKG1PRKACA
SCHEMBL3102254 0.88 ROCK2 (0.67) KCNT1ROCK1ROCK2PRKG1PRKACA
SCHEMBL3106870 0.87 ROCK2 (0.61) KCNT1ROCK1ROCK2PRKG1PRKACA
SCHEMBL22637723 0.85 KCNT1 (0.64) KCNT1MAPK1TP53SMN1; SMN2RAB9A
SCHEMBL22637840 0.85 KCNT1 (0.64) KCNT1MAPK1TP53SMN1; SMN2RAB9A
SCHEMBL22637724 0.85 KCNT1 (0.64) KCNT1MAPK1TP53SMN1; SMN2RAB9A
SCHEMBL3101227 0.84 KCNT1 (0.58) KCNT1ROCK1ROCK2PRKG1PRKACA
SCHEMBL3104470 0.82 KMT2A (0.65) KCNT1ROCK1ROCK2PRKG1PRKACA
SCHEMBL25601373 0.81 KCNT1 (0.62) KCNT1ROCK1ROCK2MAPK1TP53
SCHEMBL3098628 0.78 KMT2A (0.66) KCNT1ROCK1ROCK2PRKG1PRKACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND (DE) 2015-04-16 — — US disclosed
US-8895749-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2014-11-25 — — US disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 — — US disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 — — US disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KCNT1 2500/4885ROCK1 2/4885ROCK2 3/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KCNT1 2484/4885ROCK1 2/4885ROCK2 3/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 KCNT1 2500/4885ROCK1 2/4885ROCK2 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.